Brand  (β version)

PDB ID: 5ZXB

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Ligands
Code Name Style Show Link
9KO N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-D]pyrimidin-3(2h)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide PoSSuM
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Structure summary

Code : 5ZXB   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of ACK1 with compound 10d
Release Data : 2018-09-26
Compound :
mol_id molecule chains synonym
1 Activated CDC42 kinase 1 A,B ACK-1,Tyrosine kinase non-receptor protein 2
ec: 2.7.10.2,2.7.11.1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: TNK2, ACK1
Authors : Hong, E.M., Kim, H.L., Sim, T.B.
Keywords : inhibitor, Kinase, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.1980 Å )
Citation :

First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.

Cho, H.,Shin, I.,Ju, E.  et al.
(2018)  J. Med. Chem.  61 : 8353 - 8373

PubMed: 30153003
DOI: 10.1021/acs.jmedchem.8b00882

Reaction

Chain : A, B
UniProt : Q07912 (ACK1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+) 2.7.10.2 PROSITE-ProRule:PRU10028, PubMed:10652228, PubMed:16257963, PubMed:16472662, PubMed:18993068, PubMed:20333297
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L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:16257963, PubMed:18993068
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 PubMed:16257963, PubMed:18993068
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Cofactor: Evidence: Note:
Mg(2+) ECO:0000269 | PubMed:10652228
ECO:0000269 | PubMed:16257963
ECO:0000269 | PubMed:20333297
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